Information card for entry 2214085

Structure parameters

• Chemical name: (2E,2'E)-3,3'-(1,4-Phenylene)bis[1-(4-methoxyphenyl)prop-2-en-1-one]
• Formula: C26 H22 O4
• Calculated formula: C26 H22 O4
• SMILES: COc1ccc(cc1)C(=O)/C=C/c1ccc(cc1)/C=C/C(=O)c1ccc(cc1)OC
• Title of publication: (2<i>E</i>,2'<i>E</i>)-3,3'-(1,4-Phenylene)bis[1-(4-methoxyphenyl)prop-2-en-1-one]
• Authors of publication: Harrison, William T. A.; H. J. Ravindra; M. R. Suresh Kumar; S. M. Dharmaprakash
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3067 - o3067
• a: 13.0715 ± 0.0012 Å
• b: 5.8535 ± 0.0006 Å
• c: 26.377 ± 0.006 Å
• α: 90°
• β: 90.339 ± 0.002°
• γ: 90°
• Cell volume: 2018.2 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes